data_II # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 0 3 0 65799.4 67534.4 1020.8 o -2 4 0 73888.1 76101.1 1142.8 o -1 5 0 34354.2 34023.2 457.3 o -3 6 0 26391.4 25949.5 522.8 o 0 6 0 21628.3 21164.7 489.7 o -2 7 0 15011.9 14640.7 226.8 o -4 8 0 13277.6 13377.9 399.6 o -1 8 0 8378.1 8253.9 208.5 o -3 9 0 6719.6 6748.6 169.1 o 0 9 0 3982.1 3964.5 247.5 o -5 10 0 5399.8 5382.4 192.2 o -2 10 0 4723.5 4598.1 173.9 o -1 1 1 289.4 277.1 5.8 o 0 2 1 2222.7 2083.5 35.9 o -2 3 1 223.8 214.9 3.2 o -4 4 1 1743.3 1743.6 28.1 o -1 4 1 41.4 37.7 1.3 o -3 5 1 88.2 86.4 2.2 o 0 5 1 371.7 364.5 8.9 o -5 6 1 801.1 779.4 13.3 o -2 6 1 771.3 756.5 12.2 o -7 7 1 328.0 311.6 15.8 o -4 7 1 677.1 653.7 12.9 o -1 7 1 57.4 56.2 3.9 o -6 8 1 909.4 893.0 21.2 o -3 8 1 186.5 185.0 7.1 o 0 8 1 191.6 170.8 12.7 o -8 9 1 515.7 497.6 17.5 o -5 9 1 117.1 120.4 6.8 o -2 9 1 179.6 187.3 8.7 o -7 10 1 304.7 306.3 15.4 o -4 10 1 211.7 210.9 11.3 o 0 1 2 -0.2 1.5 0.5 < -2 2 2 264.7 244.2 4.6 o -1 3 2 67.3 61.8 1.4 o -3 4 2 28.5 24.2 1.2 o 0 4 2 7.2 2.7 1.3 o -5 5 2 229.7 238.9 6.3 o -2 5 2 74.6 70.4 2.0 o -4 6 2 55.3 55.0 2.5 o -1 6 2 10.1 3.4 1.7 o -6 7 2 59.8 67.5 3.9 o -3 7 2 20.5 23.7 2.3 o 0 7 2 217.7 204.3 12.4 o -8 8 2 63.5 82.4 8.0 o -5 8 2 59.8 63.8 4.4 o -2 8 2 29.8 26.5 3.8 o -7 9 2 128.1 145.2 7.4 o -4 9 2 24.5 20.8 4.2 o -1 9 2 13.2 9.2 4.7 < -6 10 2 5.7 10.4 4.8 < -3 10 2 -2.0 0.4 4.9 < 0 0 3 722.5 2868.4 45.0 o -1 2 3 345.6 305.5 4.9 o -3 3 3 801.9 739.2 13.7 o 0 3 3 1157.0 1037.1 18.3 o -2 4 3 2715.0 2681.7 29.4 o -4 5 3 1536.5 1508.5 21.3 o -1 5 3 1781.5 1734.3 23.4 o -6 6 3 1871.2 1828.5 45.9 o -3 6 3 1849.7 1824.7 26.2 o 0 6 3 2480.3 2505.0 64.1 o -5 7 3 1245.9 1226.6 21.1 o -2 7 3 1815.6 1812.2 30.7 o -7 8 3 1142.5 1173.0 29.0 o -4 8 3 1705.0 1741.9 40.1 o -1 8 3 1786.7 1875.3 45.3 o -9 9 3 625.7 642.4 31.2 o -6 9 3 1018.4 1058.8 31.0 o -3 9 3 1341.5 1395.7 35.9 o 0 9 3 1182.2 1193.8 50.3 o -8 10 3 803.4 808.0 32.7 o -5 10 3 1136.3 1174.6 31.3 o -2 10 3 1109.5 1150.9 41.9 o -1 1 4 1642.4 1536.7 30.3 o 0 2 4 2688.2 2331.7 40.7 o -2 3 4 1056.1 997.8 12.5 o -4 4 4 394.2 351.7 7.7 o -1 4 4 362.9 344.2 5.0 o -3 5 4 49.3 43.0 1.9 o 0 5 4 292.9 300.9 7.5 o -5 6 4 14.4 8.9 1.8 o -2 6 4 165.8 154.5 4.0 o -7 7 4 67.0 45.1 7.4 o -4 7 4 29.1 30.4 2.4 o -1 7 4 6.2 2.5 2.8 < -6 8 4 7.2 0.9 3.1 < -3 8 4 7.6 0.1 3.0 < 0 8 4 1.3 2.0 6.1 < -8 9 4 29.9 20.6 5.3 o -5 9 4 31.5 19.5 4.5 o -2 9 4 11.9 9.0 4.5 < -7 10 4 24.9 21.0 6.4 o -4 10 4 2.3 0.2 4.7 < 0 1 5 211.9 218.9 5.1 o -2 2 5 262.3 242.1 5.0 o -1 3 5 146.8 142.4 2.2 o -3 4 5 34.8 33.8 1.3 o 0 4 5 90.8 90.9 2.9 o -5 5 5 65.4 69.2 3.2 o -2 5 5 15.0 16.1 1.2 o -4 6 5 41.0 39.8 2.3 o -1 6 5 51.6 50.4 2.3 o -6 7 5 108.7 109.3 4.8 o -3 7 5 5.9 4.9 2.1 < 0 7 5 4.0 2.5 4.7 < -8 8 5 271.1 275.3 15.3 o -5 8 5 28.6 29.2 3.6 o -2 8 5 2.0 2.0 3.2 < -7 9 5 193.5 200.0 9.1 o -4 9 5 31.7 25.5 4.5 o -1 9 5 5.3 5.4 4.4 < -6 10 5 125.7 122.1 9.0 o -3 10 5 5.8 2.9 5.4 < 0 0 6 179.1 361.2 6.2 o -1 2 6 9.2 4.9 0.6 o -3 3 6 246.0 246.3 4.9 o 0 3 6 2.1 0.4 1.0 < -2 4 6 483.1 493.1 6.0 o -4 5 6 17.9 20.1 1.5 o -1 5 6 434.9 422.6 6.8 o -6 6 6 181.1 177.5 7.8 o -3 6 6 148.2 146.7 3.7 o 0 6 6 817.4 805.6 23.9 o -5 7 6 257.3 246.1 6.3 o -2 7 6 210.4 209.8 5.7 o -7 8 6 12.4 10.5 4.0 o -4 8 6 356.3 363.2 11.1 o -1 8 6 433.7 447.0 14.9 o -9 9 6 83.2 81.4 11.2 o -6 9 6 27.0 29.9 5.5 o -3 9 6 398.1 390.0 14.5 o 0 9 6 264.0 254.1 18.3 o -8 10 6 76.5 64.3 7.2 o -5 10 6 93.1 92.4 6.6 o -2 10 6 447.6 457.2 19.7 o -1 1 7 7629.7 7634.0 138.8 o 0 2 7 18441.1 16904.6 277.2 o -2 3 7 3735.8 3636.1 40.1 o -4 4 7 5502.9 5293.3 92.0 o -1 4 7 3113.8 2989.9 35.4 o -3 5 7 2213.3 2169.3 29.3 o 0 5 7 882.8 841.5 19.0 o -5 6 7 958.3 943.9 15.9 o -2 6 7 2331.0 2293.5 33.6 o -7 7 7 505.4 524.8 21.4 o -4 7 7 492.5 493.4 10.1 o -1 7 7 455.7 474.9 12.8 o -6 8 7 711.1 716.4 17.5 o -3 8 7 357.6 383.4 10.5 o 0 8 7 299.8 328.9 18.5 o -8 9 7 149.8 176.3 8.9 o -5 9 7 269.1 282.4 10.3 o -2 9 7 49.4 53.6 5.9 o -7 10 7 162.4 182.0 12.5 o -4 10 7 244.7 253.9 12.0 o 0 1 8 297.9 292.0 6.0 o -2 2 8 1914.7 1763.1 31.2 o -1 3 8 85.3 86.6 1.7 o -3 4 8 119.8 108.8 2.4 o 0 4 8 1048.5 999.0 19.7 o -5 5 8 218.6 222.6 6.2 o -2 5 8 287.9 271.6 4.9 o -4 6 8 1272.2 1290.1 19.7 o -1 6 8 327.1 319.2 6.3 o -6 7 8 924.1 961.0 19.3 o -3 7 8 318.7 326.0 7.2 o 0 7 8 451.9 466.0 19.7 o -8 8 8 1004.2 1091.0 37.7 o -5 8 8 769.0 833.6 19.5 o -2 8 8 739.5 743.2 20.4 o -7 9 8 450.9 477.4 14.9 o -4 9 8 561.2 605.6 16.7 o -1 9 8 290.4 308.7 12.4 o -6 10 8 660.1 712.5 24.9 o -3 10 8 389.0 421.6 20.0 o 0 0 9 105.1 189.4 6.8 o -1 2 9 130.0 127.0 2.0 o -3 3 9 513.8 521.1 9.3 o 0 3 9 14.7 14.5 1.3 o -2 4 9 89.3 89.3 1.9 o -4 5 9 33.8 30.5 1.7 o -1 5 9 129.5 125.6 3.1 o -6 6 9 195.3 190.0 8.2 o -3 6 9 68.0 60.9 2.5 o 0 6 9 -0.2 0.0 2.8 < -5 7 9 402.6 392.6 8.5 o -2 7 9 42.3 43.6 2.7 o -7 8 9 121.3 119.6 7.0 o -4 8 9 38.9 35.6 4.1 o -1 8 9 2.6 0.0 3.8 < -9 9 9 311.1 308.6 20.3 o -6 9 9 30.3 23.0 5.1 o -3 9 9 26.1 28.6 5.4 o 0 9 9 72.5 82.2 10.5 o -8 10 9 87.1 90.8 7.6 o -5 10 9 19.1 20.2 4.9 o -2 10 9 5.1 1.8 5.3 < -1 1 10 5474.7 5384.7 92.8 o 0 2 10 13489.5 12986.6 211.7 o -2 3 10 3208.8 3090.4 35.0 o -4 4 10 5723.2 5641.8 95.8 o -1 4 10 3917.0 3780.9 44.3 o -3 5 10 3256.6 3208.1 43.6 o 0 5 10 2530.4 2556.5 50.1 o -5 6 10 1981.0 1979.8 30.7 o -2 6 10 4594.6 4514.1 62.9 o -7 7 10 1343.8 1329.7 46.5 o -4 7 10 1740.3 1719.7 29.2 o -1 7 10 2727.5 2785.5 55.0 o -6 8 10 1731.6 1729.3 37.0 o -3 8 10 2149.9 2200.7 44.6 o 0 8 10 2203.7 2188.5 83.9 o -8 9 10 624.0 648.5 20.3 o -5 9 10 1357.7 1368.8 33.6 o -2 9 10 1184.3 1212.2 32.8 o -7 10 10 772.9 785.8 28.5 o -4 10 10 1331.8 1337.6 42.4 o 0 1 11 69833.1 68287.9 1360.9 o -2 2 11 84319.7 76799.2 1343.5 o -1 3 11 43483.0 42521.1 459.9 o -3 4 11 31946.5 31258.6 366.2 o 0 4 11 33657.8 32597.7 561.6 o -5 5 11 15158.2 14632.8 287.2 o -2 5 11 23055.4 22329.4 281.2 o -4 6 11 17558.9 17335.0 247.3 o -1 6 11 11686.3 11427.3 161.6 o -6 7 11 7455.9 7445.2 138.1 o -3 7 11 8397.9 8324.7 127.7 o 0 7 11 5805.7 5820.7 178.6 o -8 8 11 4281.5 4308.5 135.3 o -5 8 11 5929.2 5869.5 110.9 o -2 8 11 6259.9 6052.0 138.0 o -7 9 11 2770.4 2791.5 68.5 o -4 9 11 3951.1 3972.1 93.7 o -1 9 11 2605.2 2560.0 70.0 o -6 10 11 3026.2 3045.3 80.6 o -3 10 11 2339.3 2374.8 89.7 o 0 0 12 1007.2 1285.7 30.0 o -1 2 12 287.5 305.2 3.4 o -3 3 12 283.9 293.5 5.8 o 0 3 12 889.6 903.8 14.0 o -2 4 12 1155.8 1191.7 14.1 o -4 5 12 974.2 963.1 13.8 o -1 5 12 325.9 328.8 5.8 o -6 6 12 1310.8 1278.8 31.5 o -3 6 12 539.2 524.4 8.7 o 0 6 12 576.3 575.6 16.9 o -5 7 12 546.3 537.9 11.1 o -2 7 12 651.7 638.6 12.7 o -7 8 12 721.6 691.7 20.3 o -4 8 12 705.8 710.8 18.2 o -1 8 12 140.7 145.2 7.9 o -9 9 12 439.9 411.6 25.0 o -6 9 12 643.7 623.2 20.3 o -3 9 12 183.3 175.5 9.3 o 0 9 12 238.9 243.3 17.3 o -8 10 12 649.1 632.8 23.1 o -5 10 12 219.7 224.4 10.6 o -2 10 12 200.4 207.6 14.3 o -1 1 13 10456.6 10423.2 182.3 o 0 2 13 9591.0 9271.1 141.1 o -2 3 13 8083.2 7974.6 86.8 o -4 4 13 5636.6 5673.1 94.4 o -1 4 13 5488.8 5484.7 59.0 o -3 5 13 4363.0 4395.3 56.5 o 0 5 13 2653.3 2570.6 58.5 o -5 6 13 3805.3 3816.3 55.5 o -2 6 13 2516.4 2478.2 35.3 o -7 7 13 2134.8 2162.0 62.9 o -4 7 13 2464.9 2429.4 38.1 o -1 7 13 1271.4 1329.8 29.2 o -6 8 13 1829.2 1832.0 39.1 o -3 8 13 1493.9 1524.9 32.2 o 0 8 13 474.0 485.6 24.8 o -8 9 13 1518.5 1519.2 40.7 o -5 9 13 1167.9 1198.4 29.6 o -2 9 13 573.4 576.0 19.0 o -7 10 13 1283.3 1290.9 47.3 o -4 10 13 556.0 564.0 20.1 o 0 1 14 448.7 474.9 7.5 o -2 2 14 1104.3 980.9 17.0 o -1 3 14 207.8 202.9 3.0 o -3 4 14 10.8 5.1 1.0 o 0 4 14 3.2 0.1 1.6 < -5 5 14 8.6 1.0 2.3 o -2 5 14 134.1 138.0 3.1 o -4 6 14 18.6 16.2 2.0 o -1 6 14 246.1 252.8 5.5 o -6 7 14 140.3 143.3 5.9 o -3 7 14 134.9 135.4 4.5 o 0 7 14 597.0 582.2 24.2 o -8 8 14 71.2 74.0 8.9 o -5 8 14 174.3 178.6 7.2 o -2 8 14 223.5 237.6 10.3 o -7 9 14 51.4 50.6 5.8 o -4 9 14 310.8 322.7 11.5 o -1 9 14 289.3 306.1 13.4 o -6 10 14 90.6 97.1 8.3 o -3 10 14 245.7 253.0 14.0 o 0 0 15 5903.3 6253.9 149.2 o -1 2 15 9005.9 8882.9 93.3 o -3 3 15 4254.8 4331.6 66.3 o 0 3 15 4633.0 4624.3 63.4 o -2 4 15 1675.6 1626.5 19.8 o -4 5 15 1340.7 1354.9 18.5 o -1 5 15 1347.5 1380.9 20.1 o -6 6 15 198.8 203.1 7.8 o -3 6 15 773.3 758.6 11.9 o 0 6 15 251.3 276.6 9.7 o -5 7 15 339.6 359.4 7.8 o -2 7 15 488.9 501.4 10.2 o -7 8 15 49.1 52.2 5.0 o -4 8 15 127.9 131.2 6.4 o -1 8 15 111.4 124.4 7.2 o -9 9 15 29.6 37.1 9.0 o -6 9 15 87.8 83.4 6.5 o -3 9 15 118.1 125.9 7.7 o 0 9 15 100.6 101.2 11.8 o -8 10 15 15.4 25.0 8.4 < -5 10 15 36.8 33.5 5.6 o -2 10 15 45.6 44.6 9.8 o -1 1 16 8163.3 8175.2 115.8 o 0 2 16 7876.7 7813.8 116.4 o -2 3 16 5199.9 5264.6 57.6 o -4 4 16 1986.4 1952.5 34.4 o -1 4 16 2925.9 2997.5 33.7 o -3 5 16 1099.3 1058.1 15.2 o 0 5 16 2175.0 2186.1 51.9 o -5 6 16 704.9 678.8 12.1 o -2 6 16 1346.5 1316.0 19.9 o -7 7 16 33.5 18.0 5.8 o -4 7 16 795.2 776.2 14.0 o -1 7 16 678.2 695.6 18.4 o -6 8 16 151.7 147.8 7.3 o -3 8 16 617.9 591.9 16.7 o 0 8 16 440.6 443.7 23.7 o -8 9 16 115.8 96.7 8.4 o -5 9 16 103.0 92.3 7.3 o -2 9 16 574.4 570.7 19.1 o -7 10 16 153.2 130.9 11.3 o -4 10 16 227.1 210.1 11.9 o 0 1 17 9112.9 9398.3 137.5 o -2 2 17 16790.2 16783.0 269.8 o -1 3 17 9770.6 9619.0 104.1 o -3 4 17 5687.8 5660.0 65.1 o 0 4 17 10054.8 10211.8 168.7 o -5 5 17 4512.0 4446.9 87.6 o -2 5 17 4638.9 4549.8 59.0 o -4 6 17 5139.3 5120.1 72.2 o -1 6 17 5148.3 5087.7 76.7 o -6 7 17 1734.5 1728.5 35.2 o -3 7 17 4212.4 4068.0 65.5 o 0 7 17 2618.5 2577.3 84.3 o -8 8 17 1534.9 1493.5 62.0 o -5 8 17 2065.6 2062.5 45.4 o -2 8 17 3826.3 3698.0 85.3 o -7 9 17 1568.4 1515.4 39.1 o -4 9 17 1591.5 1539.4 41.6 o -1 9 17 2400.6 2319.2 64.8 o -6 10 17 1567.4 1464.8 49.6 o -3 10 17 1834.0 1768.2 63.9 o 0 0 18 30130.3 27794.8 644.9 o -1 2 18 5808.2 5772.3 59.6 o -3 3 18 3224.2 3072.1 52.9 o 0 3 18 3012.0 2949.3 44.0 o -2 4 18 7276.9 7072.0 76.9 o -4 5 18 1430.6 1412.5 19.0 o -1 5 18 1166.0 1192.3 16.9 o -6 6 18 1549.3 1509.5 36.9 o -3 6 18 1004.8 993.7 15.3 o 0 6 18 1095.1 1137.1 28.9 o -5 7 18 422.8 422.1 10.6 o -2 7 18 272.2 297.6 7.5 o -7 8 18 268.2 260.0 10.3 o -4 8 18 734.4 718.6 20.0 o -1 8 18 108.8 123.2 7.3 o -9 9 18 46.7 56.4 10.1 o -6 9 18 142.9 148.7 8.0 o -3 9 18 80.7 88.5 6.8 o 0 9 18 1.8 6.7 6.8 < -8 10 18 185.9 178.0 16.3 o -5 10 18 139.5 127.3 8.8 o -2 10 18 71.2 82.4 11.0 o -1 1 19 269.9 278.1 5.3 o 0 2 19 800.6 789.9 12.0 o -2 3 19 123.5 117.3 2.3 o -4 4 19 1293.8 1336.9 22.5 o -1 4 19 75.1 64.6 2.0 o -3 5 19 142.0 142.1 3.3 o 0 5 19 520.5 542.1 14.2 o -5 6 19 854.7 869.4 14.5 o -2 6 19 936.0 923.2 15.0 o -7 7 19 496.8 512.3 19.5 o -4 7 19 854.5 874.2 16.0 o -1 7 19 274.1 266.7 9.4 o -6 8 19 1142.4 1178.0 27.5 o -3 8 19 452.3 456.6 14.3 o 0 8 19 520.2 536.4 26.7 o -8 9 19 797.1 794.5 23.3 o -5 9 19 329.7 355.0 13.1 o -2 9 19 555.0 553.5 22.1 o -7 10 19 569.2 594.6 21.3 o -4 10 19 528.3 550.6 21.3 o 0 1 20 4724.7 4757.5 79.9 o -2 2 20 5511.3 5416.4 93.0 o -1 3 20 4042.5 3913.6 44.4 o -3 4 20 3062.3 3036.4 35.8 o 0 4 20 2324.9 2195.6 43.8 o -5 5 20 2938.3 2946.9 55.9 o -2 5 20 1565.3 1520.6 20.8 o -4 6 20 2219.7 2151.8 32.5 o -1 6 20 1312.8 1306.5 20.8 o -6 7 20 1607.1 1624.3 33.1 o -3 7 20 1519.4 1508.6 28.3 o 0 7 20 323.6 314.9 16.1 o -8 8 20 1200.6 1203.5 44.6 o -5 8 20 1418.9 1426.7 32.8 o -2 8 20 617.0 614.1 18.0 o -7 9 20 1329.3 1306.4 36.7 o -4 9 20 528.8 523.1 17.7 o -1 9 20 429.9 454.3 17.1 o -6 10 20 702.4 697.0 30.6 o -3 10 20 526.1 514.8 22.2 o 0 0 21 3960.3 3525.2 86.9 o -1 2 21 1455.1 1361.6 15.5 o -3 3 21 1528.5 1462.0 25.2 o 0 3 21 2102.9 1975.2 34.1 o -2 4 21 3114.3 3130.0 34.2 o -4 5 21 1832.1 1809.6 23.5 o -1 5 21 2211.2 2177.3 31.4 o -6 6 21 1621.8 1634.2 44.5 o -3 6 21 1970.3 1994.5 28.4 o 0 6 21 2638.6 2552.7 75.4 o -5 7 21 1110.8 1109.3 22.8 o -2 7 21 1912.3 1885.9 36.3 o -7 8 21 837.7 862.5 22.2 o -4 8 21 1535.6 1540.1 37.1 o -1 8 21 1690.7 1696.1 43.6 o -9 9 21 359.0 369.2 28.5 o -6 9 21 781.6 799.9 24.0 o -3 9 21 1182.7 1183.3 32.8 o 0 9 21 992.3 1013.4 53.5 o -8 10 21 474.8 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